Effects of the Zeolite Framework on the Adsorptions and Hydrogen-Exchange Reactions of Unsaturated Aliphatic, Aromatic, and Heterocyclic Compounds in ZSM-5 Zeolite: A Combination of Perturbation Theory (MP2) and a Newly Developed Density Functional Theory (M06-2X) in ONIOM Scheme
Boekfa, Bundet, Choomwattana, Saowapak, Khongpracha, Pipat, Limtrakul, JumrasVolume:
25
Language:
english
Journal:
Langmuir
DOI:
10.1021/la901841w
Date:
November, 2009
File:
PDF, 4.43 MB
english, 2009